N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride

C17H21ClF2N4O2 — CID 119605326

IUPACN-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C17H20F2N4O2.ClH/c18-17(19)25-12-5-1-3-10(7-12)15-13(9-21-23-15)16(24)22-14-6-2-4-11(14)8-20;/h1,3,5,7,9,11,14,17H,2,4,6,8,20H2,(H,21,23)(H,22,24);1H
InChIKeyMIXKLDSKNFTMEV-UHFFFAOYSA-N
MW386.83 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 119605326) has the molecular formula C17H21ClF2N4O2 and a molecular weight of 386.83 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID119605326
Molecular FormulaC17H21ClF2N4O2
Molecular Weight386.83 g/mol
Exact Mass386.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C17H20F2N4O2.ClH/c18-17(19)25-12-5-1-3-10(7-12)15-13(9-21-23-15)16(24)22-14-6-2-4-11(14)8-20;/h1,3,5,7,9,11,14,17H,2,4,6,8,20H2,(H,21,23)(H,22,24);1H
InChIKeyMIXKLDSKNFTMEV-UHFFFAOYSA-N
XLogP2.96
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119487330
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide
CID 109479137
N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119657135
5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride
CID 154897067
1,4-diazepan-1-yl-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119418809
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119600626
5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 72861025
5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
CID 71824533
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride (CID 119605326) is N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is MIXKLDSKNFTMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2.ClH/c18-17(19)25-12-5-1-3-10(7-12)15-13(9-21-23-15)16(24)22-14-6-2-4-11(14)8-20;/h1,3,5,7,9,11,14,17H,2,4,6,8,20H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 386.83 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119605326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).